1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(4-chlorophenyl)-6-(3-phenylpropyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CCCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=C(NCN1CCCC3=CC=CC=C3)N(C(=S)NC2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-16-8-10-17(11-9-16)26-19-18(20(27)24-21(26)28)13-25(14-23-19)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2,(H,24,27,28)